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CHEBI:6949 - miroestrol

ChEBI IDCHEBI:6949
ChEBI Namemiroestrol
Stars
Last Modified10 November 2022
DownloadsMolfile
FormulaC20H22O6
Net Charge0
Average Mass358.390
Monoisotopic Mass358.14164
SMILES[H]C12C[C@]3(O)CC(=O)[C@@](O)(C4=COc5cc(O)ccc5[C@@]4([H])C1(C)C)[C@]2([H])[C@H]3O
InChIInChI=1S/C20H22O6/c1-18(2)11-6-19(24)7-14(22)20(25,16(11)17(19)23)12-8-26-13-5-9(21)3-4-10(13)15(12)18/h3-5,8,11,15-17,21,23-25H,6-7H2,1-2H3/t11-,15+,16-,17+,19+,20-/m0/s1
InChIKeyRJKLDOLOCIQYFS-PRTISISMSA-N
Wikipedia
ChEBI Ontology
Outgoing Relation(s)
miroestrol (CHEBI:6949) is a organic heterotricyclic compound (CHEBI:26979)
miroestrol (CHEBI:6949) is a organooxygen compound (CHEBI:36963)
Incoming Relation(s)
isomiroestrol (CHEBI:193573) has functional parent miroestrol (CHEBI:6949)
Synonym  Source
MiroestrolKEGG COMPOUND
Manual XrefsDatabases
C08831KEGG COMPOUND
C00003662KNApSAcK
MiroestrolWikipedia
Registry NumbersSources
CAS:2618-41-9KEGG COMPOUND
Citations